Information card for entry 2012107

Structure parameters

• Chemical name: Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride
• Formula: C39 H72 Cl2 N6 S3 Te
• Calculated formula: C39 H72 Cl2 N6 S3 Te
• SMILES: [Te]([S]=C(NC1CCCCC1)NC1CCCCC1)([S]=C(NC1CCCCC1)NC1CCCCC1)([S]=C(NC1CCCCC1)NC1CCCCC1)Cl.[Cl-]
• Title of publication: Chlorotris(<i>N</i>,<i>N</i>'-dicyclohexylthiourea-<i>S</i>)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere
• Authors of publication: Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 854 - 856
• a: 20.1931 ± 0.0005 Å
• b: 20.2156 ± 0.0004 Å
• c: 23.199 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9470.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes